Compound Detail
CHEMBL449894
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Basic Information
| ChEMBL ID | CHEMBL449894 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQQSPILKTVVVPG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
265.3
MW (Da)
3.40
ALogP
3
HBA
1
HBD
42.4
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial CHEMBL2722 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| Cytochrome P450 11B1, mitochondrial CHEMBL1908 | IC50 | 5.75 | 5.75 | 1760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome P450 11B2, mitochondrial | IC50 | = | 22.0 | nM | 7.66 | Inhibition of human CYP11B2 expressed in hamster V79 MZh cells | 18672861 |
| Cytochrome P450 11B1, mitochondrial | IC50 | = | 1760.0 | nM | 5.75 | Inhibition of human CYP11B1 expressed in hamster V79 MZh cells | 18672861 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18672861 | 10.1021/jm800377h | Cytochrome P450 11B2, mitochondrial | 1 |
| 18672861 | 10.1021/jm800377h | Cytochrome P450 11B1, mitochondrial | 1 |
| 18672861 | 10.1021/jm800377h | Unchecked | 1 |
| 18672861 | 10.1021/jm800377h | Cytochrome P450 1A2 | 1 |
Data from ChEMBL 36 via Core Engine